InChI: | InChI=1/C25H22FNO4/c26-19-8-10-20(11-9-19)27-24(22(25(27)30)14-15-23(28)29)18-6-12-21(13-7-18)31-16-17-4-2-1-3-5-17/h1-13,22,24H,14-16H2,(H,28,29)/t22-,24-/m1/s1 |
Specification: |
The (3R,4S)-1-(4-Fluorophenyl)-2-oxo-4-[4-(benzyloxy)phenyl]-3-azetidinepropanoic acid , with the CAS register nubmer 204589-82-2, has the systematic name of 3-[(2S,3R)-2-[4-(benzyloxy)phenyl]-1-(4-fluorophenyl)-4-oxoazetidin-3-yl]propanoic acid . And it has other names as 3-Azetidinepropanoic acid, 1-(4-fluorophenyl)-2-oxo-4-[4-(phenylmethoxy)phenyl]-, (3R,4S)- .
The physical charateristics of this kind of chemical: (1)ACD/BCF (pH 5.5): 87 ; (2)ACD/BCF (pH 7.4): 1 ; (3)ACD/KOC (pH 5.5): 449 ; (4)ACD/KOC (pH 7.4): 7 ; (5)#H bond acceptors: 5 ; (6)#H bond donors: 1 ; (7)#Freely Rotating Bonds: 8 ; (8)Polar Surface Area: 66.84 ; (9)Index of Refraction: 1.614 ; (10)Molar Refractivity: 113.104 cm3 ; (11)Molar Volume: 324.524 cm3 ; (12)Polarizability: 44.838 ×10-24 cm3 ; (13)Surface Tension: 53.531 dyne/cm ; (14)Density: 1.292 g/cm3 ; (15)Flash Point: 369.553 °C ; (16)Enthalpy of Vaporization: 105.852 kJ/mol ; (17)Boiling Point: 687.445 °C at 760 mmHg. Besides, this chemical is widely used in the pharmaceutic intermediate.
In addition, you could obtain the molecular structure by using the following data information:
SMILES:Fc1ccc(cc1)N4C(=O)[C@@H]([C@H]4c3ccc(OCc2ccccc2)cc3)CCC(=O)O
InChI:InChI=1/C25H22FNO4/c26-19-8-10-20(11-9-19)27-24(22(25(27)30)14-15-23(28)29)18-6-12-21(13-7-18)31-16-17-4-2-1-3-5-17/h1-13,22,24H,14-16H2,(H,28,29)/t22-,24-/m1/s1
As for its market information, you could find many suppliers in China, such as Ningbo Hi-Tech Biochemicals Co., Ltd , and Yancheng Henz Chemical Co., Ltd.
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